CID 3681165

3,3-diphenyl-1h-indene-1,2(3h)-dione

Structural Information

Molecular Formula

C₂₁H₁₄O₂

SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14O2/c22-19-17-13-7-8-14-18(17)21(20(19)23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H

InChIKey

YASANCVYQLSQQN-UHFFFAOYSA-N

Compound name

3,3-diphenylindene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 298.09937 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.10665	170.1
[M+Na]+	321.08859	179.7
[M-H]-	297.09209	181.5
[M+NH4]+	316.13319	189.6
[M+K]+	337.06253	173.3
[M+H-H2O]+	281.09663	161.7
[M+HCOO]-	343.09757	193.4
[M+CH3COO]-	357.11322	182.9
[M+Na-2H]-	319.07404	174.5
[M]+	298.09882	169.8
[M]-	298.09992	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe